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Results for “Pareto optimality”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Optimization of Water-Alternating-CO2 Injection Field Operations Using a Machine-Learning-Assisted Workflow

Summary This paper will present a robust workflow to address multiobjective optimization (MOO) of carbon dioxide (CO2)-enhanced oil recovery (EOR)-sequestration projects with a large number of operational control parameters. Farnsworth unit (FWU) field, a mature oil reservoir undergoing CO2 alternating water injection (CO2-WAG) EOR, will be used as a field case to validate the proposed optimization protocol. The expected outcome of this work would be a repository of Pareto-optimal solutions of multiple objective functions, including oil recovery, carbon storage volume, and project economics. FWU’s numerical model is used to demonstrate the proposed optimization workflow. Because using MOO requires computationally intensive procedures, machine-learning-based proxies are introduced to substitute for the high-fidelity model, thus reducing the total computation overhead. The vector machine regression combined with the Gaussian kernel (Gaussian-SVR) is used to construct proxies. An iterative self-adjusting process prepares the training knowledge base to develop robust proxies and minimizes computational time. The proxies’ hyperparameters will be optimally designed using Bayesian optimization to achieve better generalization performance. Trained proxies will be coupled with multiobjective particle swarm Optimization (MOPSO) protocol to construct the Pareto-front solution repository. The outcomes of this workflow will be a repository containing Pareto-optimal solutions of multiple objectives considered in the CO2-WAG project. The proposed optimization workflow will be compared with another established methodology using a multilayer neural network (MLNN) to validate its feasibility in handling MOO with a large number of parameters to control. Optimization parameters used include operational variables that might be used to control the CO2-WAG process, such as the duration of the water/gas injection period, producer bottomhole pressure (BHP) control, and water injection rate of each well included in the numerical model. It is proved that the workflow coupling Gaussian-SVR proxies and the iterative self-adjusting protocol is more computationally efficient. The MOO process is made more rapid by squeezing the size of the required training knowledge base while maintaining the high accuracy of the optimized results. The outcomes of the optimization study show promising results in successfully establishing the solution repository considering multiple objective functions. Results are also verified by validating the Pareto fronts with simulation results using obtained optimized control parameters. The outcome from this work could provide field operators an opportunity to design a CO2-WAG project using as many inputs as possible from the reservoir models. The proposed work introduces a novel concept that couples Gaussian-SVR proxies with a self-adjusting protocol to increase the computational efficiency of the proposed workflow and to guarantee the high accuracy of the obtained optimized results. More importantly, the workflow can optimize a large number of control parameters used in a complex CO2-WAG process, which greatly extends its utility in solving large-scale MOO problems in various projects with similar desired outcomes.

Energy & Fuels↗
NASA NTRS2004

Multiobjective Aerodynamic Shape Optimization Using Pareto Differential Evolution and Generalized Response Surface Metamodels

Differential Evolution (DE) is a simple, fast, and robust evolutionary algorithm that has proven effective in determining the global optimum for several difficult single-objective optimization problems. The DE algorithm has been recently extended to multiobjective optimization problem by using a Pareto-based approach. In this paper, a Pareto DE algorithm is applied to multiobjective aerodynamic shape optimization problems that are characterized by computationally expensive objective function evaluations. To improve computational expensive the algorithm is coupled with generalized response surface meta-models based on artificial neural networks. Results are presented for some test optimization problems from the literature to demonstrate the capabilities of the method.

Madavan, Nateri K.↗
DOE OSTI2025

Quantum approximate multi-objective optimization

The goal of multi-objective optimization is to understand optimal trade-offs between competing objective functions by finding the Pareto front, that is, the set of all Pareto-optimal solutions, where no objective can be improved without degrading another one. Multi-objective optimization can be challenging classically, even if the corresponding single-objective optimization problems are efficiently solvable. Thus, multi-objective optimization represents a compelling problem class to analyze with quantum computers. Here we use a low-depth quantum approximate optimization algorithm to approximate the optimal Pareto front of certain multi-objective weighted maximum-cut problems. We demonstrate its performance on an IBM Quantum computer, as well as with matrix product state numerical simulation, and show its potential to outperform classical approaches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Operation and Optimization of Microwave-Heated Continuous-Flow Microfluidics

Microwave (MW) technology can be powerful for electrification and process intensification but limited fundamental understanding of scalability and design principles hinders its effective use. In this work, we build a continuous-flow microreactor inside a commercial single-mode MW applicator and the corresponding computational fluid dynamics model to simulate the temperature profile. The model is in good agreement with experiments for various microreactor dimensions and operating conditions. The model indicates that MW heating is greatly influenced by reactor geometry as well as the operating parameters. We observe a strong correlation between parameters and develop a gradient boost regression tree model to predict the outlet temperature accurately. This model is then applied to optimize the dimensions and operating conditions to maximize the outlet temperature and energy efficiency, resulting in a Pareto optimal. We demonstrate computationally and experimentally that it is possible to surpass the Pareto optimal and achieve an energy efficiency of ~90% or greater at temperatures relevant for liquid-phase chemistry via salting of the solvent. The present methodology can be applied to other complex MW reactors. Lastly, the combined numerical and experimental approach provides insights into and a framework for scale-up and optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Bias free multiobjective active learning for materials design and discovery

The design rules for materials are clear for applications with a single objective. For most applications, however, there are often multiple, sometimes competing objectives where there is no single best material and the design rules change to finding the set of Pareto optimal materials. In this work, we leverage an active learning algorithm that directly uses the Pareto dominance relation to compute the set of Pareto optimal materials with desirable accuracy. We apply our algorithm to de novo polymer design with a prohibitively large search space. Using molecular simulations, we compute key descriptors for dispersant applications and drastically reduce the number of materials that need to be evaluated to reconstruct the Pareto front with a desired confidence. This work showcases how simulation and machine learning techniques can be coupled to discover materials within a design space that would be intractable using conventional screening approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Multi Objective Controller Design for Linear System via Optimal Interpolation

We propose a methodology for the design of a controller which satisfies a set of closed-loop objectives simultaneously. The set of objectives consists of: (1) pole placement, (2) decoupled command tracking of step inputs at steady-state, and (3) minimization of step response transients with respect to envelope specifications. We first obtain a characterization of all controllers placing the closed-loop poles in a prescribed region of the complex plane. In this characterization, the free parameter matrix Q(s) is to be determined to attain objectives (2) and (3). Objective (2) is expressed as determining a Pareto optimal solution to a vector valued optimization problem. The solution of this problem is obtained by transforming it to a scalar convex optimization problem. This solution determines Q(O) and the remaining freedom in choosing Q(s) is used to satisfy objective (3). We write Q(s) = (l/v(s))bar-Q(s) for a prescribed polynomial v(s). Bar-Q(s) is a polynomial matrix which is arbitrary except that Q(O) and the order of bar-Q(s) are fixed. Obeying these constraints bar-Q(s) is now to be 'shaped' to minimize the step response characteristics of specific input/output pairs according to the maximum envelope violations. This problem is expressed as a vector valued optimization problem using the concept of Pareto optimality. We then investigate a scalar optimization problem associated with this vector valued problem and show that it is convex. The organization of the report is as follows. The next section includes some definitions and preliminary lemmas. We then give the problem statement which is followed by a section including a detailed development of the design procedure. We then consider an aircraft control example. The last section gives some concluding remarks. The Appendix includes the proofs of technical lemmas, printouts of computer programs, and figures.

Ozbay, Hitay↗
DOE OSTI2026

Scaling considerations for supercritical carbon dioxide cycles including turbomachinery loss models

A modeling framework for the supercritical carbon dioxide recompressed closed Brayton cycle was developed. Unlike typical models, this effort incorporated generalized empirical turbomachinery loss models. Aerodynamic, windage, and leakage losses were considered in order to address the limitations of conventional constant-efficiency turbomachinery assumptions without relying on machine-specific or computationally expensive simulations. The model enables system-level exploration of optimal cycle design across a range of power scales, including smaller scales that are relevant to microreactors and extraterrestrial power applications. Parametric studies and multi-objective optimizations are used to evaluate the trade-offs between thermal efficiency and system compactness based on an analytical heat exchanger scaling model, yielding Pareto-optimal fronts across a range of operating pressures. Results reveal that at small power scales, the Pareto-optimal compressor inlet pressure becomes subcritical due to the increasing influence of density-dependent turbomachinery losses. Here, the relative contributions of each loss mechanism are quantified, and design recommendations are provided for key parameters such as recompression split ratio and generator cavity pressure across varying power scales.

Multi-objective optimization↗
NASA NTRS2004

Genetic Algorithms Applied to Multi-Objective Aerodynamic Shape Optimization

A genetic algorithm approach suitable for solving multi-objective optimization problems is described and evaluated using a series of aerodynamic shape optimization problems. Several new features including two variations of a binning selection algorithm and a gene-space transformation procedure are included. The genetic algorithm is suitable for finding pareto optimal solutions in search spaces that are defined by any number of genes and that contain any number of local extrema. A new masking array capability is included allowing any gene or gene subset to be eliminated as decision variables from the design space. This allows determination of the effect of a single gene or gene subset on the pareto optimal solution. Results indicate that the genetic algorithm optimization approach is flexible in application and reliable. The binning selection algorithms generally provide pareto front quality enhancements and moderate convergence efficiency improvements for most of the problems solved.

Holst, Terry L.↗
NASA NTRS2005

Genetic Algorithms Applied to Multi-Objective Aerodynamic Shape Optimization

A genetic algorithm approach suitable for solving multi-objective problems is described and evaluated using a series of aerodynamic shape optimization problems. Several new features including two variations of a binning selection algorithm and a gene-space transformation procedure are included. The genetic algorithm is suitable for finding Pareto optimal solutions in search spaces that are defined by any number of genes and that contain any number of local extrema. A new masking array capability is included allowing any gene or gene subset to be eliminated as decision variables from the design space. This allows determination of the effect of a single gene or gene subset on the Pareto optimal solution. Results indicate that the genetic algorithm optimization approach is flexible in application and reliable. The binning selection algorithms generally provide Pareto front quality enhancements and moderate convergence efficiency improvements for most of the problems solved.

Holst, Terry L.↗
DOE OSTI2021

Discovery of Energy Storage Molecular Materials Using Quantum Chemistry-Guided Multiobjective Bayesian Optimization

Redox flow batteries (RFBs) are a promising technology for stationary energy storage applications due to their flexible design, scalability, and low cost. In RFBs, energy is carried in flowable redoxactive materials (redoxmers) which are stored externally and pumped to the cell during operation. Further improvements in the energy density of RFBs necessitates redoxmer designs with wider redox potential windows and higher solubility. Additionally, designing redoxmers with a fluorescence-enabled self-reporting functionality allows monitoring of the state of health of RFBs. To accelerate the discovery of redoxmers with desired properties, state-of-the- art machine learning ( ML) methods, such as multiobjective Bayesian optimization (MBO), are useful. Here, we first employed density functional theory calculations to generate a database of reduction potentials, solvation free energies, and absorption wavelengths for 1400 redoxmer molecules based on a 2,1,3-benzothiadiazole (BzNSN) core structure. From the computed properties, we identified 22 Pareto-optimal molecules that represent best trade-off among all of the desired properties. We further utilized these data to develop and benchmark an MBO approach to identify candidates quickly and efficiently with multiple targeted properties. With MBO, optimal candidates from the 1400-molecule data set can be identified at least 15 times more efficiently compared to the brute force or random selection approach. Importantly, we utilized this approach for discovering promising redoxmers from an unseen database of 1 million BzNSN-based molecules, where we discovered 16 new Pareto-optimal molecules with significant improvements in properties over the initial 1400 molecules. Furthermore, we anticipate that this active learning technique is general and can be utilized for the discovery of any class of functional materials that satisfies multiple desired property criteria.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

A multiple objective optimization approach to aircraft control systems design

The design of an aircraft lateral control system, subject to several performance criteria and constraints, is considered. While in the previous studies of the same model a single criterion optimization, with other performance requirements expressed as constraints, has been pursued, the current approach involves a multiple criteria optimization. In particular, a Pareto optimal solution is sought.

Tabak, D.↗
NASA NTRS1991

An integrated control/structure design method using multi-objective optimization

The benefits are demonstrated of a multiobjective optimization based control structure integrated design methodology. An application of the proposed CSI methodology to the integrated design of the Spacecraft COntrol Lab Experiment (SCOLE) configuration is presented. Integrated design resulted in reducing both the control performance measure and the mass. Thus, better overall performance is achieved through integrated design optimization. The mutliobjective optimization approach used provides Pareto optimal solutions by unconstrained minimization of a differentiable KS function. Furthermore, adjusting the parameters gives insight into the trade-offs involved between different objectives.

Gupta, Sandeep↗
DOE OSTI2024

Methodology for Exploring Water and Hydropower Operating Criteria That Simultaneously Improve Economic and Environmental Considerations

Despite the reliability and flexibility of hydropower, the operation of hydroelectric power plants may have significant impacts on the downstream river system, including its water stage, sediment transport, and water temperature, ultimately affecting the ecology. To address these challenges, there is a need to identify water scheduling patterns that improve both hydropower economics and the environment relative to current operations. This paper presents a new methodology to explore promising operational criteria/rules that can achieve such improvements. Typical environmental impact statements and relicensing processes generally perform detailed site-specific analyses of a few alternatives that focus on reservoir water release operating rules and their associated environmental impacts. In contrast, the methodology presented in this article uses a widely applicable approach that explores a much larger solution space. This large set of potential alternatives can be represented in a multidimensional space for which one axis represents the economic value and the other axis quantify individual environmental impacts (e.g., sediment transport and fish growth), and they are explored via two approaches: a Monte Carlo simulation that identifies “win–win” alternatives and a multi-objective optimization problem that identifies Pareto-optimal alternatives.

13 HYDRO ENERGY↗